5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide

C24H26N8O2 — CID 147659934

IUPAC5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1
InChIInChI=1S/C24H26N8O2/c1-14(2)32-23(28-29-30-32)20-6-5-7-22(26-20)27-24(33)19-11-18(15(3)10-21(19)34-4)16-12-25-31(13-16)17-8-9-17/h5-7,10-14,17H,8-9H2,1-4H3,(H,26,27,33)
InChIKeyGLDQIDRELUCFCF-UHFFFAOYSA-N
MW458.53 g/mol
LogP4.08
Rot. Bonds7

About 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide

5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (PubChem CID 147659934) has the molecular formula C24H26N8O2 and a molecular weight of 458.53 g/mol. Its IUPAC name is 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
PubChem CID147659934
Molecular FormulaC24H26N8O2
Molecular Weight458.53 g/mol
Exact Mass458.22
IUPAC Name5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide
SMILESCOc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1
InChIInChI=1S/C24H26N8O2/c1-14(2)32-23(28-29-30-32)20-6-5-7-22(26-20)27-24(33)19-11-18(15(3)10-21(19)34-4)16-12-25-31(13-16)17-8-9-17/h5-7,10-14,17H,8-9H2,1-4H3,(H,26,27,33)
InChIKeyGLDQIDRELUCFCF-UHFFFAOYSA-N
XLogP4.08
TPSA112.64 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.53
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide (CID 147659934) is 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is COc1cc(C)c(-c2cnn(C3CC3)c2)cc1C(=O)Nc1cccc(-c2nnnn2C(C)C)n1.
What is the InChIKey of 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
The InChIKey is GLDQIDRELUCFCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8O2/c1-14(2)32-23(28-29-30-32)20-6-5-7-22(26-20)27-24(33)19-11-18(15(3)10-21(19)34-4)16-12-25-31(13-16)17-8-9-17/h5-7,10-14,17H,8-9H2,1-4H3,(H,26,27,33).
What are the key properties of 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide?
5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide has a molecular weight of 458.53 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-cyclopropylpyrazol-4-yl)-2-methoxy-4-methyl-N-[6-(1-propan-2-yltetrazol-5-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 147659934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).